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Home > Imidazoles > 7147-74-2
7147-74-2 | D-Arabinitol,1-C-1H-benzimidazol-2-yl-, (1S)-
CAS No: 7147-74-2 Catalog No: AG005TQ9 MDL No:
Product Description
Catalog Number:
AG005TQ9
Chemical Name:
D-Arabinitol,1-C-1H-benzimidazol-2-yl-, (1S)-
CAS Number:
7147-74-2
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
IUPAC Name:
1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
InChI:
InChI=1S/C12H16N2O5/c15-5-8(16)9(17)10(18)11(19)12-13-6-3-1-2-4-7(6)14-12/h1-4,8-11,15-19H,5H2,(H,13,14)
InChI Key:
LBMJXDRTHCOBGU-UHFFFAOYSA-N
SMILES:
OCC(C(C(C(c1nc2c([nH]1)cccc2)O)O)O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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